U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsAuO3 by Materials Project
Abstract
CsAuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent AuO6 octahedra. All Cs–O bond lengths are 3.03 Å. Au5+ is bonded to six equivalent O2- atoms to form AuO6 octahedra that share corners with six equivalent AuO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–O bond lengths are 2.14 Å. O2- is bonded to four equivalent Cs1+ and two equivalent Au5+ atoms to form a mixture of distorted face, edge, and corner-sharing OCs4Au2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
- Publication Date:
- Other Number(s):
- mp-1185548
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Au-Cs-O; CsAuO3; crystal structure
- OSTI Identifier:
- 1699285
- DOI:
- https://doi.org/10.17188/1699285
Citation Formats
Materials Data on CsAuO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699285.
Materials Data on CsAuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1699285
2020.
"Materials Data on CsAuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1699285. https://www.osti.gov/servlets/purl/1699285. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1699285,
title = {Materials Data on CsAuO3 by Materials Project},
abstractNote = {CsAuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent AuO6 octahedra. All Cs–O bond lengths are 3.03 Å. Au5+ is bonded to six equivalent O2- atoms to form AuO6 octahedra that share corners with six equivalent AuO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–O bond lengths are 2.14 Å. O2- is bonded to four equivalent Cs1+ and two equivalent Au5+ atoms to form a mixture of distorted face, edge, and corner-sharing OCs4Au2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1699285},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}